7-chloranyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-])C

InChI

InChI=1S/C21H23ClN4O/c1-14-4-3-5-19(15(14)2)26-10-8-25(9-11-26)13-20-23-18-12-16(22)6-7-17(18)21(27)24-20/h3-7,12H,8-11,13H2,1-2H3,(H,23,24,27)